NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
574481 |
2m2t   |
18933 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2m2t
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 216
_Stereo_assign_list.Swap_count 5
_Stereo_assign_list.Swap_percentage 2.3
_Stereo_assign_list.Deassign_count 1
_Stereo_assign_list.Deassign_percentage 0.5
_Stereo_assign_list.Model_count 20
_Stereo_assign_list.Total_e_low_states 16.323
_Stereo_assign_list.Total_e_high_states 436.667
_Stereo_assign_list.Crit_abs_e_diff 0.100
_Stereo_assign_list.Crit_rel_e_diff 0.000
_Stereo_assign_list.Crit_mdls_favor_pct 75.0
_Stereo_assign_list.Crit_sing_mdl_viol 1.000
_Stereo_assign_list.Crit_multi_mdl_viol 0.500
_Stereo_assign_list.Crit_multi_mdl_pct 50.0
_Stereo_assign_list.Details
;
Description of the tags in this list:
* 1 * NMR-STAR 3 administrative tag
* 2 * NMR-STAR 3 administrative tag
* 3 * NMR-STAR 3 administrative tag
* 4 * Number of triplets (atom-group pair and pseudo)
* 5 * Number of triplets that were swapped
* 6 * Percentage of triplets that were swapped
* 7 * Number of deassigned triplets
* 8 * Percentage of deassigned triplets
* 9 * Number of models in ensemble
* 10 * Energy of the states with the lower energies summed for all triplets (Ang.**2)
* 11 * Energy of the states with the higher energies summed for all triplets (Ang.**2)
* 12 * Item 9-8
* 13 * Criterium for swapping assignment on the absolute energy difference (Ang.**2)
* 14 * Criterium for swapping assignment on the relative energy difference (Ang.**2)
* 15 * Criterium for swapping assignment on the percentage of models favoring a swap
* 16 * Criterium for deassignment on a single model violation (Ang.)
* 17 * Criterium for deassignment on a multiple model violation (Ang.)
* 18 * Criterium for deassignment on a percentage of models
* 19 * this tag
Description of the tags in the table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Name of pseudoatom representing the triplet
* 5 * Ordinal number of assignment (1 is assigned first)
* 6 * 'yes' if assignment state is swapped with respect to restraint file
* 7 * Percentage of models in which the assignment with the lowest
overall energy is favoured
* 8 * Percentage of difference between lowest and highest overall energy
with respect to the highest overall energy
* 9 * Difference between lowest and highest overall energy
* 10 * Energy of the highest overall energy state (Ang.**2)
* 11 * Energy of the lowest overall energy state (Ang.**2)
* 12 * Number of restraints involved with the triplet. The highest ranking
triplet on this number, is assigned first
* 13 * Number of restraints involved with the triplet that are ambiguous
besides the ambiguity from this triplet
* 14 * 'yes' if restraints included in this triplet are deassigned
* 15 * Maximum unaveraged violation before deassignment (Ang.)
* 16 * Number of violated restraints above threshold for a single model
before deassignment (given by Single_mdl_crit_count)
* 17 * Number of violated restraints above threshold for a multiple models
before deassignment (given by Multi_mdl_crit_count)
* 18 * NMR-STAR 3.0 administrative tag
* 19 * NMR-STAR 3.0 administrative tag
;
loop_
_Stereo_assign.Entity_assembly_ID
_Stereo_assign.Comp_index_ID
_Stereo_assign.Comp_ID
_Stereo_assign.Pseudo_Atom_ID
_Stereo_assign.Num
_Stereo_assign.Swapped
_Stereo_assign.Models_favoring_pct
_Stereo_assign.Energy_difference_pct
_Stereo_assign.Energy_difference
_Stereo_assign.Energy_high_state
_Stereo_assign.Energy_low_state
_Stereo_assign.Constraint_count
_Stereo_assign.Constraint_ambi_count
_Stereo_assign.Deassigned
_Stereo_assign.Violation_max
_Stereo_assign.Single_mdl_crit_count
_Stereo_assign.Multi_mdl_crit_count
1 2 LEU QB 64 no 100.0 99.9 3.395 3.398 0.003 7 0 no 0.083 0 0
1 2 LEU QD 50 no 85.0 81.4 0.024 0.030 0.006 8 2 no 0.162 0 0
1 4 LEU QB 129 no 100.0 99.2 0.616 0.621 0.005 4 0 no 0.177 0 0
1 4 LEU QD 10 no 20.0 100.0 0.003 0.003 0.000 14 4 no 0.000 0 0
1 5 ILE QG 48 no 100.0 99.0 1.417 1.431 0.014 8 0 no 0.157 0 0
1 6 GLN QB 6 no 100.0 99.9 7.731 7.740 0.008 16 5 no 0.082 0 0
1 6 GLN QE 159 no 100.0 100.0 1.354 1.355 0.000 3 3 no 0.045 0 0
1 6 GLN QG 99 no 100.0 99.5 2.373 2.384 0.011 5 0 no 0.106 0 0
1 7 GLY QA 158 no 100.0 99.6 0.189 0.190 0.001 3 3 no 0.065 0 0
1 9 LYS QB 63 no 100.0 99.8 2.480 2.486 0.006 7 0 no 0.161 0 0
1 9 LYS QG 154 no 75.0 78.8 0.101 0.129 0.027 3 0 no 0.238 0 0
1 10 ILE QG 88 no 100.0 99.9 4.466 4.471 0.005 6 0 no 0.085 0 0
1 11 VAL QG 15 no 100.0 99.8 3.615 3.621 0.006 12 2 no 0.144 0 0
1 12 ASN QD 200 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.059 0 0
1 13 HIS QB 211 no 100.0 100.0 0.725 0.725 0.000 1 0 no 0.000 0 0
1 14 LEU QB 47 no 100.0 99.9 5.183 5.187 0.004 8 0 no 0.086 0 0
1 14 LEU QD 153 no 100.0 100.0 3.953 3.953 0.000 3 0 no 0.012 0 0
1 15 ARG QB 98 no 100.0 97.4 1.143 1.173 0.030 5 0 no 0.172 0 0
1 15 ARG QG 87 no 100.0 99.8 1.420 1.423 0.003 6 0 no 0.136 0 0
1 16 SER QB 62 no 100.0 99.2 2.880 2.904 0.024 7 0 no 0.241 0 0
1 17 ARG QB 199 no 100.0 98.6 0.864 0.876 0.013 2 0 no 0.145 0 0
1 17 ARG QD 152 no 100.0 99.5 2.856 2.870 0.014 3 0 no 0.174 0 0
1 17 ARG QG 151 no 100.0 100.0 4.696 4.697 0.001 3 0 no 0.062 0 0
1 18 LEU QB 29 no 100.0 99.5 4.110 4.132 0.021 10 0 no 0.152 0 0
1 18 LEU QD 86 no 85.0 100.0 0.188 0.188 0.000 6 0 no 0.000 0 0
1 20 PHE QB 46 no 100.0 100.0 4.228 4.230 0.002 8 0 no 0.063 0 0
1 20 PHE QE 216 no 100.0 100.0 1.606 1.606 0.000 1 1 no 0.019 0 0
1 21 GLU QB 34 no 100.0 100.0 1.692 1.692 0.000 9 0 no 0.020 0 0
1 22 TYR QB 45 no 100.0 99.5 0.357 0.359 0.002 8 0 no 0.067 0 0
1 23 ASN QB 85 no 100.0 98.2 0.593 0.604 0.011 6 0 no 0.147 0 0
1 23 ASN QD 198 no 35.0 89.0 0.018 0.020 0.002 2 0 no 0.130 0 0
1 24 GLY QA 65 no 100.0 99.8 0.993 0.995 0.002 7 1 no 0.077 0 0
1 25 GLN QB 17 no 100.0 99.4 2.406 2.420 0.014 12 4 no 0.153 0 0
1 25 GLN QE 138 no 100.0 100.0 0.697 0.697 0.000 4 4 no 0.057 0 0
1 25 GLN QG 157 no 100.0 99.4 0.573 0.576 0.003 3 1 no 0.103 0 0
1 26 LEU QB 210 no 100.0 100.0 1.792 1.792 0.000 1 0 no 0.050 0 0
1 26 LEU QD 128 no 100.0 100.0 3.992 3.992 0.000 4 0 no 0.000 0 0
1 27 ILE QG 84 no 100.0 99.1 1.686 1.701 0.015 6 0 no 0.133 0 0
1 28 LYS QB 209 no 100.0 99.8 0.539 0.540 0.001 1 0 no 0.064 0 0
1 28 LYS QD 208 no 100.0 99.8 2.274 2.278 0.004 1 0 no 0.120 0 0
1 28 LYS QG 97 no 100.0 100.0 1.814 1.814 0.000 5 0 no 0.039 0 0
1 30 LEU QB 61 no 100.0 99.8 2.701 2.708 0.006 7 0 no 0.070 0 0
1 30 LEU QD 83 no 100.0 100.0 2.075 2.075 0.000 6 0 no 0.029 0 0
1 31 SER QB 207 no 100.0 99.8 2.096 2.101 0.005 1 0 no 0.100 0 0
1 32 LYS QB 44 no 100.0 99.0 1.509 1.523 0.015 8 0 no 0.203 0 0
1 32 LYS QG 96 no 100.0 100.0 0.326 0.326 0.000 5 0 no 0.000 0 0
1 33 ASN QB 82 no 100.0 99.9 2.723 2.727 0.004 6 0 no 0.111 0 0
1 33 ASN QD 197 no 45.0 75.9 0.036 0.048 0.012 2 0 no 0.247 0 0
1 34 ILE QG 150 no 100.0 99.4 0.919 0.924 0.005 3 0 no 0.107 0 0
1 35 VAL QG 16 no 100.0 100.0 0.894 0.894 0.000 12 4 no 0.000 0 0
1 37 VAL QG 7 no 100.0 100.0 4.873 4.874 0.000 16 8 no 0.082 0 0
1 38 GLY QA 60 no 100.0 100.0 2.467 2.468 0.000 7 0 no 0.042 0 0
1 40 LEU QB 43 no 100.0 99.6 2.286 2.294 0.009 8 0 no 0.129 0 0
1 40 LEU QD 8 no 100.0 100.0 1.420 1.421 0.001 15 5 no 0.065 0 0
1 41 ARG QB 196 no 90.0 100.0 0.733 0.733 0.000 2 0 no 0.032 0 0
1 42 ARG QB 195 no 100.0 100.0 1.368 1.368 0.000 2 0 no 0.024 0 0
1 42 ARG QG 127 no 100.0 99.8 0.766 0.768 0.001 4 0 no 0.091 0 0
1 43 GLU QB 92 no 35.0 100.0 0.014 0.014 0.000 6 4 no 0.000 0 0
1 45 LYS QB 126 no 100.0 99.8 0.616 0.618 0.001 4 0 no 0.079 0 0
1 45 LYS QG 194 no 95.0 99.8 0.363 0.363 0.001 2 0 no 0.074 0 0
1 46 MET QB 193 no 100.0 100.0 0.430 0.430 0.000 2 0 no 0.000 0 0
1 46 MET QG 192 no 100.0 99.9 0.455 0.455 0.000 2 0 no 0.085 0 0
1 47 LEU QB 81 no 100.0 98.8 3.929 3.978 0.049 6 0 no 0.279 0 0
1 47 LEU QD 201 no 100.0 0.0 0.000 0.000 0.000 2 1 no 0.000 0 0
1 48 ASN QB 125 no 85.0 53.0 0.028 0.054 0.025 4 0 no 0.269 0 0
1 49 ASP QB 206 no 85.0 99.8 0.980 0.982 0.002 1 0 no 0.175 0 0
1 50 VAL QG 37 no 100.0 0.0 0.000 0.000 0.000 9 5 no 0.000 0 0
1 51 ASP QB 95 no 100.0 100.0 5.052 5.054 0.002 5 0 no 0.090 0 0
1 52 LEU QD 28 no 100.0 100.0 4.059 4.059 0.000 10 0 no 0.015 0 0
1 53 LEU QD 191 no 80.0 100.0 0.888 0.888 0.000 2 0 no 0.000 0 0
1 54 ILE QG 190 no 90.0 100.0 0.026 0.026 0.000 2 0 no 0.000 0 0
1 55 ILE QG 189 no 5.0 100.0 0.002 0.002 0.000 2 0 no 0.000 0 0
1 56 VAL QG 102 no 100.0 99.8 6.514 6.524 0.011 5 3 no 0.162 0 0
1 57 PRO QB 101 no 100.0 99.9 0.763 0.764 0.001 5 1 no 0.063 0 0
1 57 PRO QD 94 no 100.0 99.9 1.283 1.285 0.002 5 0 no 0.057 0 0
1 57 PRO QG 202 no 100.0 100.0 0.171 0.171 0.000 2 2 no 0.000 0 0
1 58 GLU QB 188 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.077 0 0
1 58 GLU QG 149 no 80.0 79.0 0.036 0.046 0.010 3 0 no 0.431 0 0
1 59 LYS QB 187 no 100.0 100.0 0.342 0.342 0.000 2 0 no 0.014 0 0
1 61 LEU QB 80 no 100.0 99.6 3.086 3.098 0.012 6 0 no 0.178 0 0
1 61 LEU QD 24 no 100.0 100.0 15.388 15.389 0.001 11 6 no 0.063 0 0
1 62 LEU QB 59 no 100.0 99.8 2.878 2.885 0.007 7 0 no 0.113 0 0
1 62 LEU QD 186 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 63 LYS QB 124 no 100.0 97.4 0.175 0.180 0.005 4 0 no 0.078 0 0
1 63 LYS QG 79 no 100.0 95.7 0.208 0.218 0.009 6 0 no 0.114 0 0
1 64 HIS QB 123 no 100.0 100.0 0.392 0.392 0.000 4 0 no 0.000 0 0
1 65 VAL QG 12 no 100.0 100.0 4.967 4.969 0.002 13 5 no 0.082 0 0
1 67 PRO QB 148 no 100.0 100.0 0.637 0.637 0.000 3 0 no 0.019 0 0
1 67 PRO QD 42 no 100.0 99.5 6.671 6.704 0.033 8 0 no 0.155 0 0
1 67 PRO QG 185 no 100.0 99.1 0.088 0.089 0.001 2 0 no 0.070 0 0
1 68 ASN QD 122 no 100.0 99.6 0.456 0.458 0.002 4 0 no 0.072 0 0
1 69 ILE QG 121 no 100.0 100.0 1.514 1.514 0.000 4 0 no 0.000 0 0
1 71 ILE QG 120 no 100.0 99.1 1.351 1.363 0.013 4 0 no 0.152 0 0
1 72 LYS QB 147 no 100.0 93.5 1.845 1.974 0.129 3 0 no 0.413 0 0
1 72 LYS QG 184 no 80.0 100.0 0.216 0.216 0.000 2 0 no 0.000 0 0
1 73 GLY QA 183 no 100.0 93.9 0.086 0.091 0.006 2 0 no 0.116 0 0
1 74 LEU QB 41 no 100.0 98.8 3.073 3.110 0.037 8 0 no 0.157 0 0
1 74 LEU QD 20 no 100.0 99.9 1.733 1.735 0.002 11 0 no 0.083 0 0
1 75 SER QB 11 no 100.0 98.7 2.190 2.218 0.028 13 4 no 0.177 0 0
1 76 PHE QB 27 no 100.0 99.9 1.699 1.701 0.001 10 0 no 0.070 0 0
1 77 SER QB 119 no 100.0 99.2 0.519 0.523 0.004 4 0 no 0.114 0 0
1 78 VAL QG 100 no 100.0 100.0 1.676 1.676 0.000 5 1 no 0.000 0 0
1 80 VAL QG 118 no 100.0 100.0 2.457 2.457 0.000 4 0 no 0.036 0 0
1 82 GLY QA 146 no 100.0 98.6 0.454 0.460 0.006 3 0 no 0.108 0 0
1 83 GLU QB 182 no 70.0 92.9 0.021 0.023 0.002 2 0 no 0.060 0 0
1 83 GLU QG 181 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 84 ARG QB 180 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 85 LYS QB 117 no 100.0 99.7 1.244 1.248 0.003 4 0 no 0.122 0 0
1 86 CYS QB 179 no 100.0 99.3 0.057 0.058 0.000 2 0 no 0.087 0 0
1 88 LEU QD 134 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 89 PHE QB 116 no 100.0 100.0 0.633 0.633 0.000 4 0 no 0.052 0 0
1 90 ILE QG 115 no 100.0 99.5 1.983 1.993 0.010 4 0 no 0.157 0 0
1 91 GLU QB 9 no 100.0 99.6 3.576 3.589 0.013 14 4 no 0.133 0 0
1 91 GLU QG 178 no 90.0 99.7 0.079 0.079 0.000 2 0 no 0.052 0 0
1 92 TRP QB 78 no 100.0 100.0 0.307 0.307 0.000 6 0 no 0.000 0 0
1 93 GLU QB 114 no 100.0 98.5 0.632 0.641 0.010 4 0 no 0.151 0 0
1 93 GLU QG 93 no 100.0 99.0 0.581 0.587 0.006 5 0 no 0.157 0 0
1 94 LYS QB 54 no 95.0 98.5 0.351 0.356 0.005 8 4 no 0.131 0 0
1 94 LYS QD 177 no 75.0 97.9 0.112 0.114 0.002 2 0 no 0.129 0 0
1 94 LYS QE 137 no 95.0 98.7 0.402 0.408 0.005 4 4 no 0.131 0 0
1 94 LYS QG 113 no 100.0 98.9 1.497 1.514 0.017 4 0 no 0.174 0 0
1 95 LYS QB 58 no 100.0 99.6 2.527 2.538 0.011 7 0 no 0.194 0 0
1 95 LYS QG 77 no 100.0 99.3 0.535 0.539 0.004 6 0 no 0.107 0 0
1 97 TYR QB 33 no 100.0 97.4 1.766 1.813 0.047 9 0 no 0.250 0 0
1 97 TYR QD 205 yes 100.0 99.9 4.208 4.212 0.004 1 0 no 0.112 0 0
1 99 LEU QD 215 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 100 ASP QB 176 no 95.0 99.9 0.100 0.101 0.000 2 0 no 0.047 0 0
1 101 LEU QD 112 no 90.0 66.1 0.077 0.117 0.039 4 0 no 0.232 0 0
1 102 PHE QB 145 no 100.0 99.8 3.225 3.232 0.007 3 0 no 0.122 0 0
1 105 LEU QB 144 no 100.0 100.0 2.091 2.091 0.000 3 0 no 0.084 0 0
1 105 LEU QD 14 no 100.0 99.5 1.685 1.694 0.009 12 0 no 0.282 0 0
1 107 GLU QB 175 no 85.0 99.9 0.611 0.611 0.001 2 0 no 0.103 0 0
1 108 GLU QB 204 no 100.0 100.0 1.994 1.994 0.000 1 0 no 0.000 0 0
1 108 GLU QG 174 no 20.0 42.1 0.002 0.004 0.002 2 0 no 0.151 0 0
1 109 LYS QB 111 no 100.0 99.7 3.247 3.258 0.011 4 0 no 0.141 0 0
1 109 LYS QG 173 no 70.0 99.9 0.088 0.088 0.000 2 0 no 0.026 0 0
1 110 PRO QB 172 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 110 PRO QD 32 no 100.0 99.7 6.206 6.224 0.019 9 0 no 0.152 0 0
1 111 TYR QB 57 no 100.0 99.6 1.916 1.924 0.008 7 0 no 0.102 0 0
1 111 TYR QD 143 yes 100.0 100.0 13.043 13.044 0.001 3 0 no 0.071 0 0
1 113 ILE QG 23 no 100.0 99.5 0.749 0.753 0.004 11 6 no 0.095 0 0
1 114 PHE QB 203 no 85.0 73.1 0.013 0.017 0.005 1 0 no 0.106 0 0
1 114 PHE QD 171 yes 100.0 99.9 7.273 7.277 0.004 2 0 no 0.178 0 0
1 114 PHE QE 214 yes 100.0 100.0 7.110 7.110 0.001 1 1 no 0.091 0 0
1 115 HIS QB 156 no 100.0 100.0 0.065 0.065 0.000 3 1 no 0.000 0 0
1 116 PHE QB 35 no 100.0 100.0 9.398 9.400 0.003 9 2 no 0.085 0 0
1 118 GLY QA 5 no 100.0 23.9 2.478 10.354 7.876 16 5 yes 2.265 59 60
1 119 PRO QB 66 no 100.0 100.0 9.076 9.077 0.001 7 2 no 0.078 0 0
1 119 PRO QD 22 no 100.0 100.0 8.334 8.337 0.003 11 6 no 0.097 0 0
1 120 VAL QG 18 no 100.0 100.0 0.082 0.082 0.000 12 5 no 0.000 0 0
1 121 SER QB 133 no 100.0 100.0 4.369 4.371 0.001 4 2 no 0.078 0 0
1 122 TYR QB 90 no 100.0 100.0 0.847 0.848 0.000 6 2 no 0.055 0 0
1 122 TYR QE 213 yes 100.0 77.6 24.581 31.691 7.110 1 1 no 0.091 0 0
1 123 LEU QB 76 no 100.0 99.6 3.807 3.824 0.017 6 0 no 0.144 0 0
1 123 LEU QD 1 no 100.0 99.9 8.882 8.890 0.008 22 3 no 0.120 0 0
1 124 ILE QG 21 no 100.0 99.6 3.985 4.002 0.018 11 3 no 0.144 0 0
1 125 ARG QD 170 no 30.0 99.4 0.343 0.345 0.002 2 0 no 0.119 0 0
1 125 ARG QG 142 no 60.0 99.4 0.212 0.214 0.001 3 0 no 0.089 0 0
1 126 ILE QG 169 no 100.0 100.0 0.553 0.553 0.000 2 0 no 0.000 0 0
1 130 LEU QB 13 no 100.0 99.8 5.334 5.342 0.009 12 0 no 0.121 0 0
1 130 LEU QD 2 no 100.0 99.9 5.888 5.893 0.004 19 7 no 0.085 0 0
1 131 LYS QB 26 no 100.0 99.0 0.298 0.301 0.003 10 0 no 0.118 0 0
1 132 LYS QB 110 no 100.0 95.7 0.246 0.257 0.011 4 0 no 0.198 0 0
1 132 LYS QG 31 no 100.0 99.8 0.632 0.632 0.001 9 0 no 0.091 0 0
1 133 LYS QB 75 no 100.0 99.0 0.479 0.484 0.005 6 0 no 0.118 0 0
1 133 LYS QG 141 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 134 ASN QB 49 no 100.0 99.9 3.894 3.899 0.004 8 1 no 0.088 0 0
1 134 ASN QD 168 no 50.0 100.0 0.014 0.014 0.000 2 0 no 0.003 0 0
1 135 TYR QB 167 no 100.0 95.2 0.052 0.055 0.003 2 0 no 0.104 0 0
1 136 LYS QB 36 no 100.0 99.7 1.606 1.610 0.004 9 3 no 0.093 0 0
1 136 LYS QG 109 no 100.0 97.6 0.203 0.208 0.005 4 0 no 0.152 0 0
1 137 LEU QB 108 no 100.0 99.0 1.296 1.309 0.014 4 0 no 0.155 0 0
1 137 LEU QD 19 no 100.0 100.0 4.097 4.097 0.000 12 6 no 0.000 0 0
1 138 ASN QD 166 no 35.0 72.8 0.009 0.013 0.004 2 0 no 0.137 0 0
1 139 GLN QB 91 no 100.0 99.9 2.099 2.102 0.003 6 4 no 0.136 0 0
1 139 GLN QE 103 no 100.0 99.9 2.539 2.542 0.003 5 4 no 0.136 0 0
1 139 GLN QG 165 no 95.0 99.6 0.281 0.283 0.001 2 0 no 0.122 0 0
1 140 TYR QB 74 no 95.0 63.5 0.167 0.262 0.096 6 0 no 0.438 0 0
1 142 LEU QD 131 no 100.0 100.0 4.222 4.222 0.000 4 1 no 0.000 0 0
1 143 PHE QB 67 no 100.0 99.9 6.045 6.048 0.003 7 3 no 0.089 0 0
1 144 LYS QB 89 no 90.0 80.1 0.019 0.024 0.005 6 2 no 0.109 0 0
1 144 LYS QG 155 no 100.0 100.0 2.218 2.218 0.000 3 1 no 0.014 0 0
1 145 ASN QB 73 no 85.0 76.5 0.023 0.031 0.007 6 0 no 0.143 0 0
1 145 ASN QD 164 no 95.0 99.8 0.307 0.308 0.001 2 0 no 0.049 0 0
1 146 GLN QB 136 no 50.0 99.4 0.069 0.070 0.000 4 4 no 0.062 0 0
1 146 GLN QE 135 no 90.0 99.8 0.229 0.230 0.000 4 4 no 0.062 0 0
1 148 LEU QB 107 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 148 LEU QD 56 no 100.0 100.0 0.847 0.847 0.000 7 0 no 0.000 0 0
1 149 VAL QG 38 no 65.0 99.9 4.395 4.399 0.004 9 6 no 0.119 0 0
1 150 PRO QB 140 no 65.0 100.0 0.630 0.630 0.000 3 0 no 0.030 0 0
1 150 PRO QD 53 no 100.0 0.0 0.000 0.003 0.003 8 4 no 0.072 0 0
1 151 LEU QB 72 no 100.0 2.4 0.001 0.022 0.021 6 0 no 0.186 0 0
1 151 LEU QD 25 no 100.0 99.5 1.747 1.757 0.010 10 0 no 0.194 0 0
1 153 ILE QG 71 no 100.0 98.7 0.263 0.267 0.003 6 0 no 0.127 0 0
1 156 GLU QG 139 no 100.0 99.9 2.151 2.154 0.003 3 0 no 0.134 0 0
1 157 LYS QB 70 no 100.0 0.0 0.000 0.003 0.003 6 0 no 0.176 0 0
1 157 LYS QD 163 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.085 0 0
1 157 LYS QG 55 no 40.0 99.6 0.293 0.294 0.001 7 0 no 0.105 0 0
1 158 GLU QB 162 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.054 0 0
1 159 LEU QB 40 no 100.0 97.7 0.888 0.909 0.021 8 0 no 0.148 0 0
1 159 LEU QD 4 no 100.0 100.0 6.916 6.917 0.001 18 4 no 0.094 0 0
1 160 ILE QG 106 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 161 LYS QG 105 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.086 0 0
1 162 GLU QB 39 no 100.0 0.0 0.000 0.005 0.005 8 0 no 0.086 0 0
1 162 GLU QG 69 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.004 0 0
1 163 LEU QD 3 no 100.0 100.0 0.287 0.287 0.000 19 8 no 0.023 0 0
1 165 PHE QB 30 no 100.0 99.5 2.331 2.344 0.013 10 1 no 0.105 0 0
1 165 PHE QD 130 no 100.0 100.0 19.603 19.603 0.001 4 1 no 0.056 0 0
1 167 TYR QB 68 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 168 ARG QB 52 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.009 0 0
1 168 ARG QD 51 no 100.0 0.0 0.000 0.001 0.001 8 4 no 0.086 0 0
1 170 PRO QB 161 no 100.0 99.2 2.608 2.628 0.020 2 0 no 0.232 0 0
1 172 LYS QG 104 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.024 0 0
1 173 ARG QB 212 no 45.0 99.1 0.216 0.218 0.002 1 1 no 0.000 0 0
1 174 LEU QB 132 no 85.0 3.5 0.001 0.015 0.014 4 2 no 0.223 0 0
1 174 LEU QD 160 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
stop_
save_
Contact the webmaster for help, if required. Saturday, May 18, 2024 12:58:32 AM GMT (wattos1)